element(s):
['Al', 'Pd']
AFLOW prototype label:
AB5_oP24_62_c_5c
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4', 'x5', 'z5', 'x6', 'z6']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['10.8451', '0.3703147', '0.75421158', '0.082272996', '0.11911481', '0.2960876', '0.78786714', '0.0414814', '0.78580356', '0.33887903', '0.45906783', '0.069998985', '0.4296433', '0.31584445', '0.11759371']
model name:
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Pd', 'Pd', 'Pd', 'Pd', 'Pd']
representative atom coordinates =  [[0.082273   0.25       0.11911481]
 [0.2960876  0.25       0.78786714]
 [0.0414814  0.25       0.78580356]
 [0.33887903 0.25       0.45906783]
 [0.06999898 0.25       0.4296433 ]
 [0.31584445 0.25       0.11759371]]
spacegroup =  62
cell =  [[10.8451, 0, 0], [0, 4.0161, 0], [0, 0, 8.1795]]
=========================================